이름: methyl (2,2-difluoro-1,3-benzodioxol-5-yl)-methylene-acetoacetate
SMILES:
C=C(C(=O)CC(=O)OC)c1ccc2c(c1)OC(F)(F)O2Molecular Processing
Molecular formula
C13H10F2O5
Molecular weight
284.21
Exact mass
284.0496
XLogP
2.15
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
63.32
Supplementary Information
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